Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

	ID:	1059
	Name:	2,2',4,5,5'-pentachloro-1,1'-biphenyl
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.2'.4.5.5'-Pentachloro-1.1'-biphenyl
	Labels:
	CAS:	37680-73-2
	InChi Code:	InChI=1S/C12H5Cl5/c13-6-1-2-9(14)7(3-6)8-4-11(16)12(17)5-10(8)15/h1-5H

Properties

M2.logKoc: Soil sorption coefficient as log(Koc) i

Value	Source or prediction
4.63	experimental value
4.8897	Tab2.Model_2: logKoc (Training set)

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
2.458825461	experimental value
2.0992	Tab2.Model_5: Metab. biotransf. fish (Training set)

Links to External Resources

Link	Resource description
DTXSID8038304	US EPA CompTox Dashboard